Geometry & MOs

Info

ID:	377876
PubChem CID:	134223941
Reduced:	NS2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	428.08516
ΔH_f, kcal/mol:	40.23
Dipole, Da:	2.07
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-3-(3-chloro-4-fluoroanilino)-5-fluorofuro[2,3-c]pyridin-7-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CC2=NC=CC(=C2C=C1)SS

DOS

IR

Vibrations